On Mon, Mar 06, 2017, 杨满意 wrote:
>
> But I still don't konw how to solve this problem because this
> Error exist in the first step of run minimization and the
> second step of run heating MD.
"Easy" things to try: run the minimization and equilibration in serial mode,
rather than in parallel. And/or use pmemd rather than sander. If you still
have problems, you'll probably have to post the files you are using, so that
we can try to reproduce the problem.
....dac
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Received on Mon Mar 06 2017 - 19:00:03 PST
